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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Jul-2020HI1atBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.38289221; Eh
thumbnail.jpeg7-Jul-2020I2s_bBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-10019.9113432; Eh
thumbnail.jpeg7-Jul-2020I2sBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-10019.8931345; Eh
thumbnail.jpeg7-Jul-2020HI2atBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.39741685; Eh
thumbnail.jpeg7-Jul-2020HI1ctBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.38211325; Eh
thumbnail.jpeg7-Jul-2020TpAgBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-8797.82295083; Eh
thumbnail.jpeg7-Jul-2020P3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-1222.04855705; Eh
thumbnail.jpeg7-Jul-2020NTsBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-874.159159797; Eh
thumbnail.jpeg7-Jul-2020HTS1bBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.36759151; Eh
thumbnail.jpeg7-Jul-2020I1tBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-10019.8168520; Eh
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